Product OPENEYE NAME: 3-nitro-2-[(5-phenyloxazol-2-yl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one
CAS Name: 3-nitro-2-[(5-phenyl-2-oxazolyl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one
IUPAC NAME: 3-nitro-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one
SYSTEMATIC NAME: 3-nitro-2-[(5-phenyl-1,3-oxazol-2-yl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one
MOLECULAR FORMULA: C18H14N5O4+
MOLECULAR WEIGHT: 364.33486
SMILES: C1=CC=C(C=C1)C2=CN=C(O2)CNC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-]
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Product OPENEYE NAME: 4-chloro-5-[(5-phenyloxazol-2-yl)methylamino]-2-[5-(trifluoromethyl)-2-pyridyl]pyridazin-3-one
CAS Name: 4-chloro-5-[(5-phenyl-2-oxazolyl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]-3-pyridazinone
IUPAC NAME: 4-chloro-5-[(5-phenyl-1,3-oxazol-2-yl)methylamino]-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one
SYSTEMATIC NAME: 4-chloranyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylamino]-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one
MOLECULAR FORMULA: C20H13ClF3N5O2
MOLECULAR WEIGHT: 447.79773
SMILES: C1=CC=C(C=C1)C2=CN=C(O2)CNC3=C(C(=O)N(N=C3)C4=NC=C(C=C4)C(F)(F)F)Cl
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Product OPENEYE NAME: 3-nitro-N-[(5-phenyloxazol-2-yl)methyl]imidazo[1,2-a]pyridin-2-amine
CAS Name: 3-nitro-N-[(5-phenyl-2-oxazolyl)methyl]-2-imidazo[1,2-a]pyridinamine
IUPAC NAME: 3-nitro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]imidazo[1,2-a]pyridin-2-amine
SYSTEMATIC NAME: 3-nitro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]imidazo[1,2-a]pyridin-2-amine
MOLECULAR FORMULA: C17H13N5O3
MOLECULAR WEIGHT: 335.31682
SMILES: C1=CC=C(C=C1)C2=CN=C(O2)CNC3=C(N4C=CC=CC4=N3)[N+](=O)[O-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C22H24ClN5OS
MOLECULAR WEIGHT: 441.97686
SMILES: C1CCC2=C(CC1)SC3=NC=NC(=C23)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)Cl
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Product OPENEYE NAME: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]benzenesulfonamide
CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]benzenesulfonamide
IUPAC NAME: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]benzenesulfonamide
SYSTEMATIC NAME: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]benzenesulfonamide
MOLECULAR FORMULA: C21H22N8O5S
MOLECULAR WEIGHT: 498.51498
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)NCCN4C=NC=N4)[N+](=O)[O-]
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Product OPENEYE NAME: 3-methyl-1-[2-(1,2,4-triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS Name: 3-methyl-1-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyrido[1,2-a]benzimidazolecarbonitrile
IUPAC NAME: 3-methyl-1-[2-(1,2,4-triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
SYSTEMATIC NAME: 3-methyl-1-[2-(1,2,4-triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
MOLECULAR FORMULA: C17H15N7
MOLECULAR WEIGHT: 317.3479
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCN4C=NC=N4)C#N
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Product OPENEYE NAME: 4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
IUPAC NAME: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
SYSTEMATIC NAME: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
MOLECULAR FORMULA: C16H22N6O4S
MOLECULAR WEIGHT: 394.44868
SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3C=NC=N3)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 5-methyl-4-[2-(1,2,4-triazol-1-yl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CAS Name: 5-methyl-4-[2-(1,2,4-triazol-1-yl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-methyl-4-[2-(1,2,4-triazol-1-yl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 5-methyl-4-[2-(1,2,4-triazol-1-yl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C14H16N6O2S
MOLECULAR WEIGHT: 332.38084
SMILES: CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCCN3C=NC=N3)C
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Product OPENEYE NAME: [3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]phenyl]-phenyl-methanone
CAS Name: [3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]phenyl]-phenylmethanone
IUPAC NAME: [3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]phenyl]-phenylmethanone
SYSTEMATIC NAME: [3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]phenyl]-phenyl-methanone
MOLECULAR FORMULA: C17H15N5O3
MOLECULAR WEIGHT: 337.3327
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCCN3C=NC=N3)[N+](=O)[O-]
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Product OPENEYE NAME: 5-[[4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CAS Name: 5-[[4-[5,6-dimethyl-2-[(phenylthio)methyl]-4-thieno[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]methyl]-3-methyl-1,2,4-oxadiazole
IUPAC NAME: 5-[[4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[[4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C23H27N6OS2+
MOLECULAR WEIGHT: 467.63008
SMILES: CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC4=NC(=NO4)C)CSC5=CC=CC=C5)C
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Product OPENEYE NAME: 5-[[4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CAS Name: 5-[[4-[5,6-dimethyl-2-[(phenylthio)methyl]-4-thieno[2,3-d]pyrimidinyl]-1-piperazinyl]methyl]-3-methyl-1,2,4-oxadiazole
IUPAC NAME: 5-[[4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[[4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C23H26N6OS2
MOLECULAR WEIGHT: 466.62214
SMILES: CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)CC4=NC(=NO4)C)CSC5=CC=CC=C5)C
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Product OPENEYE NAME: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-N-(2-naphthyl)-3-nitro-benzamide
CAS Name: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]-N-(2-naphthalenyl)-3-nitrobenzamide
IUPAC NAME: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-N-naphthalen-2-yl-3-nitrobenzamide
SYSTEMATIC NAME: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-N-naphthalen-2-yl-3-nitro-benzamide
MOLECULAR FORMULA: C25H25N6O4+
MOLECULAR WEIGHT: 473.5038
SMILES: CC1=NOC(=N1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2-naphthyl)-3-nitro-benzamide
CAS Name: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]-N-(2-naphthalenyl)-3-nitrobenzamide
IUPAC NAME: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-2-yl-3-nitrobenzamide
SYSTEMATIC NAME: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-naphthalen-2-yl-3-nitro-benzamide
MOLECULAR FORMULA: C25H24N6O4
MOLECULAR WEIGHT: 472.49586
SMILES: CC1=NOC(=N1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 5-[[4-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CAS Name: 5-[[4-(5,6-dimethyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]-3-methyl-1,2,4-oxadiazole
IUPAC NAME: 5-[[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[[4-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C20H23N6OS2+
MOLECULAR WEIGHT: 427.56622
SMILES: CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC4=NC(=NO4)C)C5=CC=CS5)C
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Product OPENEYE NAME: 5-[[4-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CAS Name: 5-[[4-(5,6-dimethyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]methyl]-3-methyl-1,2,4-oxadiazole
IUPAC NAME: 5-[[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[[4-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C20H22N6OS2
MOLECULAR WEIGHT: 426.55828
SMILES: CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)CC4=NC(=NO4)C)C5=CC=CS5)C
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Product OPENEYE NAME: 4-[[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CAS Name: 4-[[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholine
IUPAC NAME: 4-[[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SYSTEMATIC NAME: 4-[[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
MOLECULAR FORMULA: C23H28N7O2S2+
MOLECULAR WEIGHT: 498.64412
SMILES: CC1=NOC(=N1)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC(=N3)CN5CCOCC5)C6=CC=CS6
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Product OPENEYE NAME: 4-[[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CAS Name: 4-[[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]methyl]morpholine
IUPAC NAME: 4-[[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SYSTEMATIC NAME: 4-[[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
MOLECULAR FORMULA: C23H27N7O2S2
MOLECULAR WEIGHT: 497.63618
SMILES: CC1=NOC(=N1)CN2CCN(CC2)C3=C4C(=CSC4=NC(=N3)CN5CCOCC5)C6=CC=CS6
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Product OPENEYE NAME: (3R)-1-[2-[(4-chlorophenyl)sulfanylmethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-sulfonamide
CAS Name: (3R)-1-[2-[[(4-chlorophenyl)thio]methyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl]-3-piperidinesulfonamide
IUPAC NAME: (3R)-1-[2-[(4-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperidine-3-sulfonamide
SYSTEMATIC NAME: (3R)-1-[2-[(4-chlorophenyl)sulfanylmethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-sulfonamide
MOLECULAR FORMULA: C20H23ClN4O2S3
MOLECULAR WEIGHT: 483.07022
SMILES: CC1=C(SC2=NC(=NC(=C12)N3CCC[C@H](C3)S(=O)(=O)N)CSC4=CC=C(C=C4)Cl)C
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Product OPENEYE NAME: (3S)-1-[2-[(4-chlorophenyl)sulfanylmethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-sulfonamide
CAS Name: (3S)-1-[2-[[(4-chlorophenyl)thio]methyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl]-3-piperidinesulfonamide
IUPAC NAME: (3S)-1-[2-[(4-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperidine-3-sulfonamide
SYSTEMATIC NAME: (3S)-1-[2-[(4-chlorophenyl)sulfanylmethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]piperidine-3-sulfonamide
MOLECULAR FORMULA: C20H23ClN4O2S3
MOLECULAR WEIGHT: 483.07022
SMILES: CC1=C(SC2=NC(=NC(=C12)N3CCC[C@@H](C3)S(=O)(=O)N)CSC4=CC=C(C=C4)Cl)C
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Product OPENEYE NAME: (3R)-1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidine-3-sulfonamide
CAS Name: (3R)-1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-3-piperidinesulfonamide
IUPAC NAME: (3R)-1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperidine-3-sulfonamide
SYSTEMATIC NAME: (3R)-1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidine-3-sulfonamide
MOLECULAR FORMULA: C17H26N4O6S2
MOLECULAR WEIGHT: 446.54154
SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@H](C3)S(=O)(=O)N)[N+](=O)[O-]
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Product OPENEYE NAME: (3S)-1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidine-3-sulfonamide
CAS Name: (3S)-1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-3-piperidinesulfonamide
IUPAC NAME: (3S)-1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperidine-3-sulfonamide
SYSTEMATIC NAME: (3S)-1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidine-3-sulfonamide
MOLECULAR FORMULA: C17H26N4O6S2
MOLECULAR WEIGHT: 446.54154
SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@@H](C3)S(=O)(=O)N)[N+](=O)[O-]
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